%chk=000042453.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042453

0 1
 O   0.5193000     -0.5377000     -0.9834000    
 O    2.673400      -2.160400     -0.9236000    
 O   -1.729900       3.356000      0.4833000    
 O   -2.394300       2.366400      -1.368700    
 N   -1.623300       2.504300     -0.4095000    
 C  -0.6877000      0.2602000     -0.9471000    
 C  -0.5217000       1.607600     -0.3254000    
 C   -1.708300     -0.5713000     -0.2375000    
 C    1.635600     -7.7000000E-02 -0.3346000    
 C    1.716400       1.175900      0.2873000    
 C   0.5753000       2.082200      0.2581000    
 C    2.735500     -0.9390000     -0.3215000    
 C    2.905800       1.553300      0.9220000    
 C   -2.445100      -1.518300     -0.9451000    
 C   -1.918500     -0.3952000       1.128200    
 C    3.915800     -0.5564000      0.3143000    
 C    4.000800      0.6879000      0.9359000    
 C   -3.397200      -2.293600     -0.2832000    
 C   -2.870400      -1.170700       1.790200    
 C   -3.609700      -2.120000       1.084500    
 C    2.228300      -3.254000     -0.1243000    
 H  -0.9758000      0.3868000      -1.998900    
 H   0.6870000       3.073700      0.6810000    
 H    2.993700       2.521300       1.409800    
 H   -2.287300      -1.664400      -2.010200    
 H   -1.348300      0.3116000       1.723100    
 H    4.774100      -1.222700      0.3282000    
 H    4.920900      0.9859000       1.430100    
 H   -3.972200      -3.033400     -0.8323000    
 H   -3.032000      -1.040100       2.856200    
 H   -4.349700      -2.725000       1.600200    
 H    2.219000      -4.152400     -0.7474000    
 H    1.213700      -3.074800      0.2457000    
 H    2.910900      -3.417800      0.7155000    


%chk=000042453-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042453

0 1
O 0.673005 -0.384820 -1.208048
O 2.829401 -2.290115 -0.584374
O -1.454523 3.877465 -0.577368
O -2.542987 2.179313 -1.665677
N -1.548984 2.646326 -0.968597
C -0.690293 0.265691 -1.050409
C -0.495455 1.702862 -0.614409
C -1.558117 -0.581942 -0.127887
C 1.646466 -0.094646 -0.240856
C 1.662324 1.179589 0.412719
C 0.599634 2.114771 0.096402
C 2.692477 -1.029733 -0.002489
C 2.734590 1.525635 1.280066
C -2.284457 -1.665301 -0.684017
C -1.616961 -0.354565 1.269801
C 3.747587 -0.656359 0.869160
C 3.775950 0.606767 1.501553
C -3.052955 -2.512962 0.141365
C -2.384273 -1.203549 2.097866
C -3.102426 -2.284546 1.537174
C 1.638414 -3.050527 -1.020256
H -1.089887 0.226882 -2.075827
H 0.670494 3.161006 0.413219
H 2.735380 2.507342 1.765934
H -2.252605 -1.836135 -1.767098
H -1.075179 0.488589 1.712063
H 4.539748 -1.392873 1.036204
H 4.606584 0.858809 2.167542
H -3.618116 -3.341276 -0.299576
H -2.426974 -1.018896 3.176813
H -3.702736 -2.938069 2.179785
H 2.018666 -4.068486 -1.195289
H 1.215183 -2.625905 -1.943547
H 0.865121 -3.061441 -0.231039


